4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one

C10H15ClN4O — CID 136880702

IUPAC4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one
SMILESCC1CCN(c2nc[nH]c(=O)c2Cl)C1CN
InChIInChI=1S/C10H15ClN4O/c1-6-2-3-15(7(6)4-12)9-8(11)10(16)14-5-13-9/h5-7H,2-4,12H2,1H3,(H,13,14,16)
InChIKeyRBSBMAKXCFZHEV-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.60
Rot. Bonds2

About 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one

4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one (PubChem CID 136880702) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one
PubChem CID136880702
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one
SMILESCC1CCN(c2nc[nH]c(=O)c2Cl)C1CN
InChIInChI=1S/C10H15ClN4O/c1-6-2-3-15(7(6)4-12)9-8(11)10(16)14-5-13-9/h5-7H,2-4,12H2,1H3,(H,13,14,16)
InChIKeyRBSBMAKXCFZHEV-UHFFFAOYSA-N
XLogP0.60
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136758195
4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136978257
4-[2-(aminomethyl)-6-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136978272
5-chloro-4-(2,5-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136971373
5-chloro-4-(2-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 137008146
5-chloro-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136879306
5-chloro-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136979563
4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136972863
5-chloro-4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136989959
4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136972692
4-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 137012740
5-chloro-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 137008987

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one (CID 136880702) is 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one is CC1CCN(c2nc[nH]c(=O)c2Cl)C1CN.
What is the InChIKey of 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The InChIKey is RBSBMAKXCFZHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-6-2-3-15(7(6)4-12)9-8(11)10(16)14-5-13-9/h5-7H,2-4,12H2,1H3,(H,13,14,16).
What are the key properties of 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one has a molecular weight of 242.71 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136880702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).